Geometry & MOs

Info

ID:	135708
PubChem CID:	51920599
Reduced:	ClN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	442.174001
ΔH_f, kcal/mol:	-192.79
Dipole, Da:	3.8
IP(EA), eV:	-8.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(2R)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations