Geometry & MOs

Info

ID:	367246
PubChem CID:	127324023
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	2.29
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC(C)C3=C(SC(=C3)C)C

DOS

IR

Vibrations