Geometry & MOs

Info

ID:	88788
PubChem CID:	49956835
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	3.21
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations