Geometry & MOs

Info

ID:	302389
PubChem CID:	124361560
Reduced:	N2O7C28H32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	471.135173
ΔH_f, kcal/mol:	-270.27
Dipole, Da:	8.55
IP(EA), eV:	-9.38(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-benzylsulfanyl-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

DOS

IR

Vibrations