Geometry & MOs

Info

ID:	340601
PubChem CID:	127262612
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	453.251523
ΔH_f, kcal/mol:	-185.1
Dipole, Da:	2.59
IP(EA), eV:	-9.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2R,4S)-4-[(4-ethoxy-4-oxobutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)/C

DOS

IR

Vibrations