Geometry & MOs

Info

ID:	180382
PubChem CID:	76625385
Reduced:	N2O2S6C23H42 (1)
Stoich.:	A2B2C6D23E42 (1)
Weight, g/mol:	473.285384
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	6.05
IP(EA), eV:	-8.97(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-(3-tert-butylphenyl)-1-methylpyrrolidin-3-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NCCCCC(C(=O)C)NC1SSC2(SS1)SS2

DOS

IR

Vibrations