Geometry & MOs

Info

ID:	37025
PubChem CID:	8016235
Reduced:	O2N3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	8.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998476
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)C3=C(CC[NH2+]2)C4=CC=CC=C4N3

DOS

IR

Vibrations