Geometry & MOs

Info

ID:

36

PubChem CID:

1992

Reduced:

N5O13C30H37 (1)

Stoich.:

A5B13C30D37 (1)

Weight, g/mol:

675.238786

ΔHf, kcal/mol:

-580.04

Dipole, Da:

7.41

IP(EA), eV:

 -9.35(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[[3-carboxy-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

DOS

IR

Vibrations