Geometry & MOs

Info

ID:	36436
PubChem CID:	8006927
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	6.65
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N-cyclohexyl-5-(4-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC(C)C)C

DOS

IR

Vibrations