Geometry & MOs

Info

ID:	148931
PubChem CID:	53788601
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	726.39925
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	5.88
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-[[2-[[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)N)C(=O)NN

DOS

IR

Vibrations