Geometry & MOs

Info

ID:	138969
PubChem CID:	52451557
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	4.14
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(2,5-dimethylphenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC[C@@H]3CCCO3)OC

DOS

IR

Vibrations