Geometry & MOs

Info

ID:	142821
PubChem CID:	53096728
Reduced:	SN3O4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	7.3
IP(EA), eV:	-8.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)sulfonyl-7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=CC(=C3)C)C(=O)NC4=CC=C(C=C4)CC#N

DOS

IR

Vibrations