Geometry & MOs

Info

ID:	440725
PubChem CID:	135231128
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	58.52
Dipole, Da:	6.84
IP(EA), eV:	-8.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpyrrolidin-3-yl)amino]sulfanylphenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1C2C13C(O3)CN(C2)SC4=CC=C(C=C4)NC(=O)NCC5=CNN=C5

DOS

IR

Vibrations