Geometry & MOs

Info

ID:	437041
PubChem CID:	135214125
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	4.54
IP(EA), eV:	-8.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]-4-[[(2R)-1-thiophen-3-ylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations