Geometry & MOs

Info

ID:	235679
PubChem CID:	92710403
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-137.47
Dipole, Da:	4.52
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations