Geometry & MOs

Info

ID:	72367
PubChem CID:	48416094
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-180.09
Dipole, Da:	3.44
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C(C)NC(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations