Geometry & MOs

Info

ID:	191157
PubChem CID:	78112826
Reduced:	N2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	613.138256
ΔH_f, kcal/mol:	48.78
Dipole, Da:	0.8
IP(EA), eV:	-8.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[3-(3,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2CC3(CCN2C3)C4=CC=CC=C4

DOS

IR

Vibrations