Geometry & MOs

Info

ID:

316290

PubChem CID:

126630582

Reduced:

N11H105C170 (1)

Stoich.:

A11B105C170 (1)

Weight, g/mol:

426.247835

ΔHf, kcal/mol:

897.11

Dipole, Da:

10.39

IP(EA), eV:

 -7.84(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-1-[(2R)-2-[[(2S)-2-formamido-3-methylbutanoyl]amino]-3-(oxan-4-yl)propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC3=C(C=C1)N=NC(=C3C1=CC=C(C=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=C(C=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations