Geometry & MOs

Info

ID:	176238
PubChem CID:	76016099
Reduced:	SN12O12C34H58 (1)
Stoich.:	AB12C12D34E58 (1)
Weight, g/mol:	405.194008
ΔH_f, kcal/mol:	-560.5
Dipole, Da:	11.82
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzhydrylamino)-3-hydroxy-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)O)N

DOS

IR

Vibrations