Geometry & MOs

Info

ID:	312050
PubChem CID:	126602157
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	435.236936
ΔH_f, kcal/mol:	-141.36
Dipole, Da:	2.74
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]piperazin-1-yl]-3-oxopropoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N(CCC1=CC=C(C=C1)C2=C(N=CS2)CO)C(=O)[C@@H]3C[C@H](CN3)O)N

DOS

IR

Vibrations