Geometry & MOs

Info

ID:	152909
PubChem CID:	56311998
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	5.42
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-carbamoylanilino)-3-oxopropyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC=C(O3)S(=O)(=O)N(C)C

DOS

IR

Vibrations