Geometry & MOs

Info

ID:	63094
PubChem CID:	26744232
Reduced:	O2N3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755064
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(1S,2S)-2-methylcyclohexyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](C[NH2+]2)O

DOS

IR

Vibrations