Geometry & MOs

Info

ID:	216922
PubChem CID:	85086991
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	316.236208
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	3.6
IP(EA), eV:	-9.34(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-amino-3-methylpentanoyl)amino]-3-hydroxy-6-methylheptanoate

Drug info:

PubChemData

Smile

CC1=CCCC2(C1CC3C4(C2CC(C(=C4CC(=O)O3)C)O)C)C

DOS

IR

Vibrations