Geometry & MOs

Info

ID:	70456
PubChem CID:	48413375
Reduced:	SN2O7C16H22 (1)
Stoich.:	AB2C7D16E22 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	4.87
IP(EA), eV:	-9.81(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations