Geometry & MOs

Info

ID:	157690
PubChem CID:	56436512
Reduced:	OS3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	45.24
Dipole, Da:	5.32
IP(EA), eV:	-8.52(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SC)CCCNC(=O)C2=CN=C(S2)C3=CC=CS3

DOS

IR

Vibrations