Geometry & MOs

Info

ID:	195463
PubChem CID:	78689863
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	4.34
IP(EA), eV:	-8.98(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(azepan-1-yl)phenyl]methylideneamino]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=C(C(C(=O)N=N3)C#N)C

DOS

IR

Vibrations