Geometry & MOs

Info

ID:	244421
PubChem CID:	99350796
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	1.84
IP(EA), eV:	-8.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC[C@@H]1CCN(C1)C2=CC=CC=C2OC)NC(=O)C3=CC=CS3

DOS

IR

Vibrations