Geometry & MOs

Info

ID:	191922
PubChem CID:	78202382
Reduced:	N13O15C44H73 (1)
Stoich.:	A13B15C44D73 (1)
Weight, g/mol:	133.056135
ΔH_f, kcal/mol:	-699.57
Dipole, Da:	5.15
IP(EA), eV:	-9.11(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-3-methylsulfanylpropanal

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N

DOS

IR

Vibrations