Geometry & MOs

Info

ID:	171346
PubChem CID:	75364553
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	58.7
Dipole, Da:	5.81
IP(EA), eV:	-9.12(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)NC(=O)C4=CC=[N+](C=C4)[O-]

DOS

IR

Vibrations