Geometry & MOs

Info

ID:	402361
PubChem CID:	135055672
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	570.28605
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	5.95
IP(EA), eV:	-9.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4Z)-4-(4-chlorophenyl)-2-(dodecanoylamino)-4-phenylmethoxycarbonyliminobutanoate

Drug info:

PubChemData

Smile

CC1=CC[C@@](CC1)(C=O)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations