Geometry & MOs

Info

ID:	88832
PubChem CID:	49957079
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	4.61
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yloxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations