Geometry & MOs

Info

ID:	435321
PubChem CID:	135191193
Reduced:	NOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	401.265157
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	3.17
IP(EA), eV:	-8.67(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-methyl-N-[(E)-N'-(methylaminomethyl)carbamimidoyl]-4-[2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCC1)C(=O)CSC

DOS

IR

Vibrations