Geometry & MOs

Info

ID:	68990
PubChem CID:	46515005
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]heptanoate

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCN2C(=NC3=CC=CC=C32)C

DOS

IR

Vibrations