Geometry & MOs

Info

ID:	237307
PubChem CID:	92718123
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	476.118812
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	5.91
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-3-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)COC)S(=O)(=O)N

DOS

IR

Vibrations