Geometry & MOs

Info

ID:	193623
PubChem CID:	78413996
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	1.25
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)CC4=CC=CO4)C

DOS

IR

Vibrations