Geometry & MOs

Info

ID:	61631
PubChem CID:	26711267
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	5.01
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations