Geometry & MOs

Info

ID:	74599
PubChem CID:	48422148
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	2.44
IP(EA), eV:	-8.03(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations