Geometry & MOs

Info

ID:	164989
PubChem CID:	74480377
Reduced:	N4O5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	437.171262
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	28.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966218
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(2,4-dimethylphenyl)carbamoyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C1=CC=CC=C1)C(=O)[O-])NC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations