Geometry & MOs

Info

ID:	437042
PubChem CID:	135214126
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	19.6
Dipole, Da:	5.7
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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

DOS

IR

Vibrations