Geometry & MOs

Info

ID:	437043
PubChem CID:	135214129
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	19.97
Dipole, Da:	4.55
IP(EA), eV:	-8.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]amino]-4-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H](CC1=CSC=C1)NC2=C(C(=O)C2=O)NCC(CC3=CC=CC=C3)N(C)C

DOS

IR

Vibrations