Geometry & MOs

Info

ID:	142696
PubChem CID:	53077123
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	6.13
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[7-methyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)CS(=O)(=O)C4=C(C=C(C(=C4)C)C)C

DOS

IR

Vibrations