Geometry & MOs

Info

ID:	234282
PubChem CID:	92298092
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	351.092915
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	6.42
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[[4-(6-methyl-1-benzothiophen-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2NC(=O)[C@H]3C[C@H]3C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations