Geometry & MOs

Info

ID:	244420
PubChem CID:	99350791
Reduced:	N3O6C22H23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	4.61
IP(EA), eV:	-7.82(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

DOS

IR

Vibrations