Geometry & MOs

Info

ID:	38717
PubChem CID:	8137812
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations