Geometry & MOs

Info

ID:	343809
PubChem CID:	127266985
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	4.15
IP(EA), eV:	-8.12(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,4-dimethyl-1,3-oxazol-5-yl)methylamino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(C)CC2=CC(=NC=C2)OC)NS(=O)(=O)C

DOS

IR

Vibrations