Geometry & MOs

Info

ID:

190840

PubChem CID:

78066982

Reduced:

S3O8N9C29H49 (1)

Stoich.:

A3B8C9D29E49 (1)

Weight, g/mol:

774.336878

ΔHf, kcal/mol:

-362.09

Dipole, Da:

4.92

IP(EA), eV:

 -8.84(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CS)NC(=O)C(CCSC)N

DOS

IR

Vibrations