Geometry & MOs

Info

ID:	302390
PubChem CID:	124361561
Reduced:	NSO7C24H25 (1)
Stoich.:	ABC7D24E25 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-232.99
Dipole, Da:	9.74
IP(EA), eV:	-8.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)N[C@H](CSCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations