Geometry & MOs

Info

ID:	217275
PubChem CID:	85087543
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-175.29
Dipole, Da:	2.52
IP(EA), eV:	-9.59(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C=O)C(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations