Geometry & MOs

Info

ID:	175458
PubChem CID:	75908168
Reduced:	SO3N4C23H37 (1)
Stoich.:	AB3C4D23E37 (1)
Weight, g/mol:	448.250812
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	4.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120436
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations