Geometry & MOs

Info

ID:

190821

PubChem CID:

78063263

Reduced:

SN3O7C15H19 (1)

Stoich.:

AB3C7D15E19 (1)

Weight, g/mol:

607.332961

ΔHf, kcal/mol:

-267.64

Dipole, Da:

6.1

IP(EA), eV:

 -8.72(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OS(=O)(=O)O)C(=CN2)CCNC(CCC(=O)N)C(=O)O

DOS

IR

Vibrations