Geometry & MOs

Info

ID:

219989

PubChem CID:

85165118

Reduced:

O7N9C29H41 (1)

Stoich.:

A7B9C29D41 (1)

Weight, g/mol:

627.399584

ΔHf, kcal/mol:

-261.76

Dipole, Da:

6.79

IP(EA), eV:

 -9.18(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[4-methyl-2-[[3-methyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations