Geometry & MOs

Info

ID:	189289
PubChem CID:	77839306
Reduced:	O7C30H32 (1)
Stoich.:	A7B30C32 (1)
Weight, g/mol:	490.31552
ΔH_f, kcal/mol:	-211.02
Dipole, Da:	1.79
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1-[(4-methylpiperazin-1-yl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-phenylbutanoate

Drug info:

PubChemData

Smile

C=CCOC1C(C(C(C(O1)CO)(C(=O)C2=CC=CC=C2)O)(CC3=CC=CC=C3)O)(CC4=CC=CC=C4)O

DOS

IR

Vibrations