Geometry & MOs

Info

ID:	69507
PubChem CID:	47193681
Reduced:	IOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	390.04404
ΔH_f, kcal/mol:	18.57
Dipole, Da:	5.18
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[(4-iodo-2-methylphenyl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations