Geometry & MOs

Info

ID:	422683
PubChem CID:	135118243
Reduced:	ON4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	383.162725
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	4.56
IP(EA), eV:	-8.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations