Geometry & MOs

Info

ID:	163363
PubChem CID:	57847124
Reduced:	O2N3C32H35 (1)
Stoich.:	A2B3C32D35 (1)
Weight, g/mol:	401.119798
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	1.52
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-carbamimidoyl-1-benzothiophen-5-yl)phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N3CC[C@H]4[C@@H]3C5=CC=CC=C5N[C@H]4C6=CC=CC=C6

DOS

IR

Vibrations