Geometry & MOs

Info

ID:	185364
PubChem CID:	77289380
Reduced:	SN4O7C34H52 (1)
Stoich.:	AB4C7D34E52 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	6.63
IP(EA), eV:	-8.23(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylamino)-6-[4-(pyrrolidine-2-carbonylamino)anilino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1=CC(=CC(=N1)N(CCOC)CC2CC2C)COC3C(CCO3)(CC4=CC=CC=C4)N(C(=O)O)C(C)(C)C)S(=O)(=O)C

DOS

IR

Vibrations