Geometry & MOs

Info

ID:	228030
PubChem CID:	87563252
Reduced:	ClNS2O3F4H4C12 (1)
Stoich.:	ABC2D3E4F4G12 (1)
Weight, g/mol:	333.105561
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	8.32
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)methyl-(2,2-difluoroethyl)carbamic acid

Drug info:

PubChemData

Smile

C1=C(SC(=C1[N+](=O)[O-])SC2=C(C(=C(C(=C2F)F)Cl)F)F)CC=O

DOS

IR

Vibrations