Geometry & MOs

Info

ID:	146811
PubChem CID:	53754123
Reduced:	NPO6C27H58 (1)
Stoich.:	ABC6D27E58 (1)
Weight, g/mol:	401.206304
ΔH_f, kcal/mol:	-419.14
Dipole, Da:	7.07
IP(EA), eV:	-8.93(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(3-amino-6-methyl-2-oxopyridin-1-yl)-4-(formamidomethyl)-2-methyl-3-methylidene-2H-pyridin-6-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCNC)OC

DOS

IR

Vibrations