Geometry & MOs

Info

ID:	33566
PubChem CID:	7887016
Reduced:	FN4O4C18H19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	404.134068
ΔH_f, kcal/mol:	-164.5
Dipole, Da:	3.53
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C)F

DOS

IR

Vibrations