Geometry & MOs

Info

ID:	47119
PubChem CID:	10529723
Reduced:	O2N3C13H25 (2)
Stoich.:	A2B3C13D25 (2)
Weight, g/mol:	509.96512
ΔH_f, kcal/mol:	-254.87
Dipole, Da:	2.67
IP(EA), eV:	-9.39(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-[(2-bromoacetyl)-methylamino]-5-iodobenzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCCCN

DOS

IR

Vibrations