Geometry & MOs

Info

ID:	151192
PubChem CID:	53790892
Reduced:	N3O4C16H31 (1)
Stoich.:	A3B4C16D31 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-192.67
Dipole, Da:	4.86
IP(EA), eV:	-9.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-oxo-3-[3-(prop-1-en-2-ylamino)cyclohexyl]-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1CCCC(C1)N)C(=O)N(C)OC

DOS

IR

Vibrations