Geometry & MOs

Info

ID:	38408
PubChem CID:	8035334
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	3.5
IP(EA), eV:	-8.31(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@H]2CCC4)C(=O)NC1=S

DOS

IR

Vibrations