Geometry & MOs

Info

ID:

182951

PubChem CID:

76962180

Reduced:

SN7O8C25H36 (2)

Stoich.:

AB7C8D25E36 (2)

Weight, g/mol:

648.399919

ΔHf, kcal/mol:

-680.22

Dipole, Da:

8.99

IP(EA), eV:

 -9.21(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,4S,5S)-4-hydroxy-5-[[(2R)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N

DOS

IR

Vibrations