Geometry & MOs

Info

ID:

225623

PubChem CID:

85856789

Reduced:

S2N5H11C13 (1)

Stoich.:

A2B5C11D13 (1)

Weight, g/mol:

760.43843

ΔHf, kcal/mol:

109.63

Dipole, Da:

3.78

IP(EA), eV:

 -8.71(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1C2=NC3=C(C=C2C#N)C(=C(S3)C#N)N

DOS

IR

Vibrations